N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide

C32H40N6O3 — CID 71274175

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide (PubChem CID 71274175) has the molecular formula C32H40N6O3 and a molecular weight of 556.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
• PubChem CID: 71274175
• Molecular Formula: C32H40N6O3
• Molecular Weight: 556.71 g/mol
• Exact Mass: 556.32
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
• SMILES: COC[C@@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21
• InChI: InChI=1S/C32H40N6O3/c1-20-13-22(3)35-32(40)27(20)17-34-31(39)26-14-25(15-28-30(26)21(2)18-38(28)23(4)19-41-6)24-7-8-29(33-16-24)37-11-9-36(5)10-12-37/h7-8,13-16,18,23H,9-12,17,19H2,1-6H3,(H,34,39)(H,35,40)/t23-/m1/s1
• InChIKey: VSBNDFLFWSBVNJ-HSZRJFAPSA-N
• XLogP: 4.21
• TPSA: 95.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.71
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide (CID 71274175) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide is COC[C@@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

The InChIKey is VSBNDFLFWSBVNJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H40N6O3/c1-20-13-22(3)35-32(40)27(20)17-34-31(39)26-14-25(15-28-30(26)21(2)18-38(28)23(4)19-41-6)24-7-8-29(33-16-24)37-11-9-36(5)10-12-37/h7-8,13-16,18,23H,9-12,17,19H2,1-6H3,(H,34,39)(H,35,40)/t23-/m1/s1.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide is sourced from PubChem (CID 71274175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).